CID 131754601

Tg(15:0/20:2n6/o-18:0)

Structural Information

Molecular Formula
C56H106O5
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C56H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,54H,4-15,17-18,20-24,26,28-53H2,1-3H3/b19-16-,27-25-/t54-/m1/s1
InChIKey
JGPBKGRLNMQDIQ-SPSCBPQESA-N
Compound name
[(2R)-1-octadecoxy-3-pentadecanoyloxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

858.804 Da
Monoisotopic Mass

23.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 859.81128 321.2
[M+Na]+ 881.79322 320.5
[M+NH4]+ 876.83782 322.0
[M+K]+ 897.76716 324.1
[M-H]- 857.79672 301.2
[M+Na-2H]- 879.77867 314.4
[M]+ 858.80345 316.6
[M]- 858.80455 316.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.